| Properties | Image |
|---|
| MNX_ID | MNXM114726 |
 |
| reference | chebi:145766 |
| formula | C39H50O27 |
| global charge | 0 |
| mol weight | 950.802 |
| InChIKey | DLIYOJUVMRMRGS-UMQUMIMUSA-N |
| InChI | InChI=1S/C39H50O27/c40-6-16-21(45)26(50)30(54)36(62-16)58-7-17-22(46)27(51)31(55)37(63-17)59-8-18-23(47)28(52)32(56)38(64-18)60-9-19-24(48)29(53)33(57)39(65-19)66-35-25(49)20-14(44)4-11(41)5-15(20)61-34(35)10-1-2-12(42)13(43)3-10/h1-5,16-19,21-24,26-33,36-48,50-57H,6-9H2/t16-,17-,18-,19-,21-,22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33-,36-,37-,38-,39+/m1/s1 |
| SMILES | O=C1C(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=C(C2=CC(O)=C(O)C=C2)OC2=CC(O)=CC(O)=C12 |
MNX internals
| InChI (mnx) | InChI=1/C39H50O27/c40-6-16-21(45)26(50)30(54)36(62-16)58-7-17-22(46)27(51)31(55)37(63-17)59-8-18-23(47)28(52)32(56)38(64-18)60-9-19-24(48)29(53)33(57)39(65-19)66-35-25(49)20-14(44)4-11(41)5-15(20)61-34(35)10-1-2-12(42)13(43)3-10/h1-5,16-19,21-24,26-33,36-48,50-57H,6-9H2/t16-,17-,18-,19-,21-,22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33-,36-,37-,38-,39+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:12]([OH:42])=[C:13]([OH:43])[CH:3]=[C:10]1[C:34]1=[C:35]([O:66][C@H:39]2[C@H:33]([OH:57])[C@@H:29]([OH:53])[C@H:24]([OH:48])[C@@H:19]([CH2:9][O:60][C@H:38]3[C@H:32]([OH:56])[C@@H:28]([OH:52])[C@H:23]([OH:47])[C@@H:18]([CH2:8][O:59][C@H:37]4[C@H:31]([OH:55])[C@@H:27]([OH:51])[C@H:22]([OH:46])[C@@H:17]([CH2:7][O:58][C@H:36]5[C@H:30]([OH:54])[C@@H:26]([OH:50])[C@H:21]([OH:45])[C@@H:16]([CH2:6][OH:40])[O:62]5)[O:63]4)[O:64]3)[O:65]2)[C:25](=[O:49])[C:20]2=[C:14]([OH:44])[CH:4]=[C:11]([OH:41])[CH:5]=[C:15]2[O:61]1 |
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